4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

C21H22N4O2 — CID 135520797

IUPAC4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,26)
InChIKeyKCULHHZIGAWRQN-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.77
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one

4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135520797) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID135520797
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,26)
InChIKeyKCULHHZIGAWRQN-UHFFFAOYSA-N
XLogP2.77
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135629079
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135453392
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644902
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135911475
[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53169246
4-(methoxymethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(2-phenylethyl)-1H-pyrimidin-6-one
CID 135893937

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 135520797) is 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(N3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KCULHHZIGAWRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-9-7-16(8-10-18)19-15-20(26)23-21(22-19)25-13-11-24(12-14-25)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,22,23,26).
What are the key properties of 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 362.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135520797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).